Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14f11efcac1259a5b2609e74391b388b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 227.442,
"b": 159.831,
"c": 70.642,
"alpha": 90.00,
"beta": 106.03,
"gamma": 90.00
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,1.909],
"number_observations_unique": 181016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.909],
"number_observations_unique": 14615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "Completeness",
"value": 78.400
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.060,1.980],
"number_observations_unique": 17182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.150,2.060],
"number_observations_unique": 18405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.260,2.150],
"number_observations_unique": 18660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.410,2.260],
"number_observations_unique": 18643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.590,2.410],
"number_observations_unique": 18695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.850,2.590],
"number_observations_unique": 18736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.270,2.850],
"number_observations_unique": 18689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [4.110,3.270],
"number_observations_unique": 18671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [40.000,4.110],
"number_observations_unique": 18720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
}
]
}